2-Hydroxy-5-methylacetophenone

HCID 15068CAS 1450-72-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)c1cc(C)ccc1O
InChIKey
YNPDFBFVMJNGKZ-UHFFFAOYSA-N
분자식
C9H10O2
평균 분자량
150.17 g/mol
단동위원소 질량
150.06807956

개요

2'-Hydroxy-5'-methylacetophenone is an aromatic ketone.

이름 및 식별자

우선 이름
2-Hydroxy-5-methylacetophenone
IUPAC
1-(2-hydroxy-5-methylphenyl)ethanone
영어명
1-(2-Hydroxy-5-methylphenyl)ethanone
분자식
C9H10O2
분자량
150.17

이름 및 동의어

1450-72-21-(2-Hydroxy-5-methylphenyl)ethanone2'-Hydroxy-5'-methylacetophenone2-Hydroxy-5-methylacetophenoneEthanone, 1-(2-hydroxy-5-methylphenyl)-o-Acetyl-p-cresol1-(2-Hydroxy-5-Methylphenyl)Ethan-1-One2-ACETYL-4-METHYLPHENOL1-Hydroxy-2-acetyl-4-methylbenzeneAcetophenone, 2'-hydroxy-5'-methyl-11661U1ZENEINECS 215-915-2
이름 더 보기
Ethanone,1-(2-hydroxy-5-methylphenyl)-2-hydroxy-5,6-dimethyl acetophenone2'EOS-61730AURORA 16683
NSC-26458NSC-63363DTXSID9061702FEMA NO. 4594NSC 26458NSC 633635'-METHYL-2'-HYDROXYACETOPHENONERefChem:473275

데이터베이스 식별자

CAS
1450-72-2
PubChem CID
15068
DTXSID
DTXSID9061702
ChEMBL
CHEMBL4444601
ChEBI
CHEBI:179659
UNII
11661U1ZEN
EC Number
215-915-2
Nikkaji
J128G

물성

구조 계산 물성

XLogP
2.3
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility · 2건

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point210.00 °C. @ 760.00 mm Hg
Melting Point50 °C
Physical Description · 2건

Solid

Colourless to pale yellow solid; Sweet heavy-floral somewhat herbaceous aroma

물리화학적 성질

녹는점
45 · 45-48 °C(lit.)
끓는 점
112 · 112-114°C 12mm
밀도
1.079 · 1.079
굴절률
1.5369 · 1.5369 (estimate)
FEMA
4594 · 4594 | 2-HYDROXY-5-METHYLACETOPHENONE
인화점
230 °F · >230 °F

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29147000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthanone, 1-(2-hydroxy-5-methylphenyl)-: INACTIVE

응용 분야

용도2'-Hydroxy-5'-methylacetophenone is used to produce 2-ethyl-4-methyl-phenol. It is used as an intermediate in organic synthesis.

제조 방법

Obtained by treatment of methyl 4-hydroxy-6-methyl-coumarin-3-carboxylate with potassium hydroxide at 200° (82%).

상·하류 제품 정보

공급사50 곳

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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